1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine

C37H32N10 — CID 159944761

About 1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine

1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159944761) has the molecular formula C37H32N10 and a molecular weight of 616.73 g/mol. Its IUPAC name is 1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159944761
• Molecular Formula: C37H32N10
• Molecular Weight: 616.73 g/mol
• Exact Mass: 616.28
• IUPAC Name: 1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: Cn1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc21.c1ccc(-c2nn3c(c2-c2ccnc4[nH]ccc24)CCC3)nc1
• InChI: InChI=1S/C19H17N5.C18H15N5/c1-23-12-8-14-13(7-10-21-19(14)23)17-16-6-4-11-24(16)22-18(17)15-5-2-3-9-20-15;1-2-8-19-14(4-1)17-16(15-5-3-11-23(15)22-17)12-6-9-20-18-13(12)7-10-21-18/h2-3,5,7-10,12H,4,6,11H2,1H3;1-2,4,6-10H,3,5,11H2,(H,20,21)
• InChIKey: OBIPWUFNOJYLCG-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 107.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.73
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 159944761) is 1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc21.c1ccc(-c2nn3c(c2-c2ccnc4[nH]ccc24)CCC3)nc1.

What is the InChIKey of 1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is OBIPWUFNOJYLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5.C18H15N5/c1-23-12-8-14-13(7-10-21-19(14)23)17-16-6-4-11-24(16)22-18(17)15-5-2-3-9-20-15;1-2-8-19-14(4-1)17-16(15-5-3-11-23(15)22-17)12-6-9-20-18-13(12)7-10-21-18/h2-3,5,7-10,12H,4,6,11H2,1H3;1-2,4,6-10H,3,5,11H2,(H,20,21).

What are the key properties of 1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine?

1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 616.73 g/mol, XLogP of 6.88, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159944761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).